1,3-dibenzyl-5-methylpyrimidine-2,4-dione

C19H18N2O2 — CID 3991306

IUPAC1,3-dibenzyl-5-methylpyrimidine-2,4-dione
SMILESCc1cn(Cc2ccccc2)c(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C19H18N2O2/c1-15-12-20(13-16-8-4-2-5-9-16)19(23)21(18(15)22)14-17-10-6-3-7-11-17/h2-12H,13-14H2,1H3
InChIKeyUJCVBITWYRMQNE-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.42
Rot. Bonds4

About 1,3-dibenzyl-5-methylpyrimidine-2,4-dione

1,3-dibenzyl-5-methylpyrimidine-2,4-dione (PubChem CID 3991306) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1,3-dibenzyl-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dibenzyl-5-methylpyrimidine-2,4-dione
PubChem CID3991306
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1,3-dibenzyl-5-methylpyrimidine-2,4-dione
SMILESCc1cn(Cc2ccccc2)c(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C19H18N2O2/c1-15-12-20(13-16-8-4-2-5-9-16)19(23)21(18(15)22)14-17-10-6-3-7-11-17/h2-12H,13-14H2,1H3
InChIKeyUJCVBITWYRMQNE-UHFFFAOYSA-N
XLogP2.42
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Mavacamten
CID 117761397
1-Benzyl-5-methyl-1H-pyrimidine-2,4-dione
CID 237953
1-benzyl-6-methylpyrimidine-2,4(1H,3H)-dione
CID 309331
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
1-(3-Tritylaminopropyl)uracil
CID 11589642
Aryl bispyrimidine
CID 2815029
5-acetyl-1-benzyl-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione
CID 3814068
1,3-Dibenzylpyrimidine-2,4-dione
CID 698951
6-Amino-1-benzyl-5-(benzylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2344558
1-Benzyluracil
CID 237962
6-Amino-1-benzyluracil
CID 250746
N,N'-Dibenzyl-N,N'-dimethyl-malonamide
CID 2392235

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1,3-dibenzyl-5-methylpyrimidine-2,4-dione (CID 3991306) is 1,3-dibenzyl-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dibenzyl-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1,3-dibenzyl-5-methylpyrimidine-2,4-dione is Cc1cn(Cc2ccccc2)c(=O)n(Cc2ccccc2)c1=O.
What is the InChIKey of 1,3-dibenzyl-5-methylpyrimidine-2,4-dione?
The InChIKey is UJCVBITWYRMQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-15-12-20(13-16-8-4-2-5-9-16)19(23)21(18(15)22)14-17-10-6-3-7-11-17/h2-12H,13-14H2,1H3.
What are the key properties of 1,3-dibenzyl-5-methylpyrimidine-2,4-dione?
1,3-dibenzyl-5-methylpyrimidine-2,4-dione has a molecular weight of 306.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 3991306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).